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Bicyclo[3.1.0]hexan-2-one, 3-(4-chlorobutyl)-5,6-diphenyl-, (1.alpha.,3.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID 4n627fWBYpT
InChI InChI=1S/C22H23ClO/c23-14-8-7-11-17-15-22(18-12-5-2-6-13-18)19(20(22)21(17)24)16-9-3-1-4-10-16/h1-6,9-10,12-13,17,19-20H,7-8,11,14-15H2/t17-,19+,20+,22-/m1/s1
InChIKey PDONHEVKZJMGPF-IWLVTHKOSA-N
Mol Weight 338.88 g/mol
Molecular Formula C22H23ClO
Exact Mass 338.143743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fPVz1TFhch
Name Bicyclo[3.1.0]hexan-2-one, 3-(4-chlorobutyl)-5,6-diphenyl-, (1.alpha.,3.alpha.,5.alpha.,6.beta.)-
CAS Registry Number 56434-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23ClO
InChI InChI=1S/C22H23ClO/c23-14-8-7-11-17-15-22(18-12-5-2-6-13-18)19(20(22)21(17)24)16-9-3-1-4-10-16/h1-6,9-10,12-13,17,19-20H,7-8,11,14-15H2/t17-,19+,20+,22-/m1/s1
InChIKey PDONHEVKZJMGPF-IWLVTHKOSA-N
Molecular Weight 338.878 g/mol
SMILES [C@]12([C@@](C(=O)[C@@](C2)(CCCCCl)[H])([H])[C@@]1(c1ccccc1)[H])c1ccccc1
SPLASH splash10-0a4l-5291000000-14ced2242a58982bcb2a
Source of Spectrum C-97-3736-0
Synonyms (1R,3R,5R,6R)-3-(4-chlorobutyl)-5,6-diphenylbicyclo[3.1.0]hexan-2-one trans-5.6-diphenyl-exo-3-(4-chlorobutyl)-bicyclo(3.1.0)hexan-2-one
Wiley ID 1334114